Geometry & MOs

Info

ID:	423229
PubChem CID:	135119144
Reduced:	ClN2O3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	357.160103
ΔH_f, kcal/mol:	-138.3
Dipole, Da:	2.93
IP(EA), eV:	-9.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)C(=O)CC3=CC(=C(C=C3)O)Cl

DOS

IR

Vibrations